6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C14H19N5OS — CID 133339216

IUPAC6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCC(C)CN(C)c1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C14H19N5OS/c1-4-10(2)8-19(3)12-6-5-11(7-15-12)13(20)17-14-18-16-9-21-14/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,20)
InChIKeyIKAPYQBYVQDNCR-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.67
Rot. Bonds6

About 6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339216) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133339216
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCC(C)CN(C)c1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C14H19N5OS/c1-4-10(2)8-19(3)12-6-5-11(7-15-12)13(20)17-14-18-16-9-21-14/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,20)
InChIKeyIKAPYQBYVQDNCR-UHFFFAOYSA-N
XLogP2.67
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339834
6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 56795561
6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339682
(2S,3S)-3-methyl-2-[[5-(1,3,4-thiadiazol-2-ylcarbamoyl)-2-pyridinyl]amino]pentanoic acid
CID 122050446
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide
CID 99778610
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339930
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133350945
6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133461877
6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133328992

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339216) is 6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCC(C)CN(C)c1ccc(C(=O)Nc2nncs2)cn1.
What is the InChIKey of 6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is IKAPYQBYVQDNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-10(2)8-19(3)12-6-5-11(7-15-12)13(20)17-14-18-16-9-21-14/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,20).
What are the key properties of 6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).